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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)-2-deoxy-, 5-nitrate,monohydrochloride
RN: 81785-28-6
InChIKey: LTRMRBBQIZKGLN-CZSZBLNBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N3-O7.Cl-H

Molecular Weight

  • 401.801
 
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Names and Synonyms

Synonym

  • 5-(2-Hydroxy-3-(2-cyanophenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl

Systematic Name

  • L-Iditol, 1,4:3,6-dianhydro-2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)-2-deoxy-, 5-nitrate,monohydrochloride

Registry Numbers

CAS Registry Number

  • 81785-28-6

System Generated Number

  • 0081785286

Molecular Formulas

Molecular Formula

  • C16-H19-N3-O7.Cl-H

Molecular Formula Fragments

  • C16-H19-N3-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19N3O7.ClH/c17-5-10-3-1-2-4-13(10)23-7-11(20)6-18-12-8-24-16-14(26-19(21)22)9-25-15(12)16;/h1-4,11-12,14-16,18,20H,6-9H2;1H/t11?,12-,14-,15+,16+;/m0./s1

InChIKey

LTRMRBBQIZKGLN-CZSZBLNBSA-N

Smiles

c1ccc(c(c1)C#N)OCC(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   European Patent Application. Vol. #0044940,